data_17365 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ASHH2 a CW domain ; _BMRB_accession_number 17365 _BMRB_flat_file_name bmr17365.str _Entry_type original _Submission_date 2010-12-16 _Accession_date 2010-12-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The CW domain, a new histone recognition module in chromatin proteins.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kristiansen 'Per Eugen' . . 2 Hoppmann Verena . . 3 Thorstensen Tage . . 4 Aalen Reidunn B. . 5 Aasland Rein . . 6 Finne Kenneth . . 7 Veiseth Silje . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 555 "13C chemical shifts" 395 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-23 update BMRB 'update entry citation' 2011-05-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The CW domain, a new histone recognition module in chromatin proteins' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21522130 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hoppmann Verena . . 2 Thorstensen Tage . . 3 Kristiansen 'Per Eugen' . . 4 Veiseth Silje V. . 5 Rahman Mohummad A. . 6 Finne Kenneth . . 7 Aalen Reidunn . . 8 Aasland Rein B. . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 30 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1939 _Page_last 1952 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ASHH2 a CW domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ASHH2 a CW domain' $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 11213.283 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSRRASVGSEFMVVDVTIED SYSTESAWVRCDDCFKWRRI PASVVGSIDESSRWICMNNS DKRFADCSKSQEMSNEEINE ELGIGQDEADAYDCDAAKRG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ARG 4 ARG 5 ALA 6 SER 7 VAL 8 GLY 9 SER 10 GLU 11 PHE 12 MET 13 VAL 14 VAL 15 ASP 16 VAL 17 THR 18 ILE 19 GLU 20 ASP 21 SER 22 TYR 23 SER 24 THR 25 GLU 26 SER 27 ALA 28 TRP 29 VAL 30 ARG 31 CYS 32 ASP 33 ASP 34 CYS 35 PHE 36 LYS 37 TRP 38 ARG 39 ARG 40 ILE 41 PRO 42 ALA 43 SER 44 VAL 45 VAL 46 GLY 47 SER 48 ILE 49 ASP 50 GLU 51 SER 52 SER 53 ARG 54 TRP 55 ILE 56 CYS 57 MET 58 ASN 59 ASN 60 SER 61 ASP 62 LYS 63 ARG 64 PHE 65 ALA 66 ASP 67 CYS 68 SER 69 LYS 70 SER 71 GLN 72 GLU 73 MET 74 SER 75 ASN 76 GLU 77 GLU 78 ILE 79 ASN 80 GLU 81 GLU 82 LEU 83 GLY 84 ILE 85 GLY 86 GLN 87 ASP 88 GLU 89 ALA 90 ASP 91 ALA 92 TYR 93 ASP 94 CYS 95 ASP 96 ALA 97 ALA 98 LYS 99 ARG 100 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2L7P "Ashh2 A Cw Domain" 100.00 100 100.00 100.00 2.69e-64 GB AAC34358 "Hypothetical protein [Arabidopsis thaliana]" 89.00 1767 100.00 100.00 3.07e-53 GB ABC69038 "SDG8 [Arabidopsis thaliana]" 89.00 1759 100.00 100.00 2.86e-53 GB ABV68921 "SDG8 [Arabidopsis thaliana]" 89.00 1805 100.00 100.00 2.53e-53 GB AEE35960 "histone-lysine N-methyltransferase ASHH2 [Arabidopsis thaliana]" 89.00 1805 100.00 100.00 2.53e-53 GB AEE35961 "histone-lysine N-methyltransferase ASHH2 [Arabidopsis thaliana]" 89.00 1501 100.00 100.00 3.02e-53 REF NP_001077836 "histone-lysine N-methyltransferase ASHH2 [Arabidopsis thaliana]" 89.00 1501 100.00 100.00 3.02e-53 REF NP_177854 "histone-lysine N-methyltransferase ASHH2 [Arabidopsis thaliana]" 89.00 1805 100.00 100.00 2.53e-53 SP Q2LAE1 "RecName: Full=Histone-lysine N-methyltransferase ASHH2; AltName: Full=ASH1 homolog 2; AltName: Full=H3-K4-HMTase; AltName: Full" 89.00 1759 100.00 100.00 2.86e-53 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 7 15:54:02 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . pSXG $ZN 'obtained from a vendor' . . . . non stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-98% 13C; U-98% 15N]' $ZN 10 uM 'natural abundance' DSS 0.2 mM 'natural abundance' DTT 1.0 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'Foruier transform' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AVII600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HBHANH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_1D_1H_proton_spectrum_water_suppresion_with_exitation_sculptin_18 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H proton spectrum water suppresion with exitation sculptin' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1D 1H proton spectrum water suppresion with exitation sculptin' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ASHH2 a CW domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.599 0.03 1 2 2 2 SER HB2 H 3.862 0.03 2 3 2 2 SER HB3 H 3.862 0.03 2 4 2 2 SER C C 174.183 0.45 1 5 2 2 SER CA C 58.341 0.45 1 6 2 2 SER CB C 64.256 0.45 1 7 3 3 ARG H H 8.63 0.03 1 8 3 3 ARG HA H 4.519 0.03 1 9 3 3 ARG HB2 H 1.837 0.03 2 10 3 3 ARG HB3 H 1.749 0.03 2 11 3 3 ARG HG2 H 1.619 0.03 2 12 3 3 ARG HG3 H 1.619 0.03 2 13 3 3 ARG HD2 H 3.136 0.03 2 14 3 3 ARG HD3 H 3.136 0.03 2 15 3 3 ARG C C 176.044 0.45 1 16 3 3 ARG CA C 56.012 0.45 1 17 3 3 ARG CB C 31.305 0.45 1 18 3 3 ARG CG C 27.266 0.45 1 19 3 3 ARG CD C 43.391 0.45 1 20 3 3 ARG N N 122.894 0.3 1 21 4 4 ARG H H 8.544 0.03 1 22 4 4 ARG HA H 4.41 0.03 1 23 4 4 ARG HB2 H 1.812 0.03 2 24 4 4 ARG HB3 H 1.696 0.03 2 25 4 4 ARG HG2 H 1.69 0.03 2 26 4 4 ARG HG3 H 1.608 0.03 2 27 4 4 ARG HD2 H 3.083 0.03 2 28 4 4 ARG HD3 H 3.083 0.03 2 29 4 4 ARG C C 175.736 0.45 1 30 4 4 ARG CA C 55.924 0.45 1 31 4 4 ARG CB C 31.395 0.45 1 32 4 4 ARG CG C 31.406 0.45 1 33 4 4 ARG CD C 43.395 0.45 1 34 4 4 ARG N N 122.654 0.3 1 35 5 5 ALA H H 8.45 0.03 1 36 5 5 ALA HA H 4.414 0.03 1 37 5 5 ALA HB H 1.382 0.03 1 38 5 5 ALA C C 177.393 0.45 1 39 5 5 ALA CA C 52.32 0.45 1 40 5 5 ALA CB C 19.81 0.45 1 41 5 5 ALA N N 125.473 0.3 1 42 6 6 SER H H 8.357 0.03 1 43 6 6 SER HA H 4.497 0.03 1 44 6 6 SER HB2 H 3.848 0.03 2 45 6 6 SER HB3 H 3.848 0.03 2 46 6 6 SER C C 174.529 0.45 1 47 6 6 SER CA C 58.175 0.45 1 48 6 6 SER CB C 63.935 0.45 1 49 6 6 SER N N 115.375 0.3 1 50 7 7 VAL H H 8.222 0.03 1 51 7 7 VAL HA H 4.17 0.03 1 52 7 7 VAL HB H 2.088 0.03 1 53 7 7 VAL HG1 H 0.925 0.03 2 54 7 7 VAL HG2 H 0.925 0.03 2 55 7 7 VAL C C 176.625 0.45 1 56 7 7 VAL CA C 62.488 0.45 1 57 7 7 VAL CB C 32.741 0.45 1 58 7 7 VAL CG1 C 21.136 0.45 2 59 7 7 VAL CG2 C 20.438 0.45 2 60 7 7 VAL N N 121.417 0.3 1 61 8 8 GLY H H 8.571 0.03 1 62 8 8 GLY HA2 H 4.08 0.03 2 63 8 8 GLY HA3 H 3.992 0.03 2 64 8 8 GLY C C 174.389 0.45 1 65 8 8 GLY CA C 45.399 0.45 1 66 8 8 GLY N N 112.736 0.3 1 67 9 9 SER H H 8.216 0.03 1 68 9 9 SER HA H 4.431 0.03 1 69 9 9 SER HB2 H 3.829 0.03 2 70 9 9 SER HB3 H 3.879 0.03 2 71 9 9 SER C C 174.752 0.45 1 72 9 9 SER CA C 58.681 0.45 1 73 9 9 SER CB C 63.89 0.45 1 74 9 9 SER N N 115.87 0.3 1 75 10 10 GLU H H 8.704 0.03 1 76 10 10 GLU HA H 4.21 0.03 1 77 10 10 GLU HB2 H 1.827 0.03 2 78 10 10 GLU HB3 H 1.886 0.03 2 79 10 10 GLU HG2 H 1.993 0.03 2 80 10 10 GLU HG3 H 2.116 0.03 2 81 10 10 GLU C C 176.079 0.45 1 82 10 10 GLU CA C 57.069 0.45 1 83 10 10 GLU CB C 29.855 0.45 1 84 10 10 GLU CG C 36.157 0.45 1 85 10 10 GLU N N 122.44 0.3 1 86 11 11 PHE H H 8.076 0.03 1 87 11 11 PHE HA H 4.655 0.03 1 88 11 11 PHE HB2 H 3.144 0.03 2 89 11 11 PHE HB3 H 2.96 0.03 2 90 11 11 PHE HD1 H 7.202 0.03 3 91 11 11 PHE HD2 H 7.202 0.03 3 92 11 11 PHE HE1 H 7.299 0.03 3 93 11 11 PHE HE2 H 7.299 0.03 3 94 11 11 PHE C C 175.789 0.45 1 95 11 11 PHE CA C 57.565 0.45 1 96 11 11 PHE CB C 39.616 0.45 1 97 11 11 PHE CD1 C 131.589 0.45 3 98 11 11 PHE CE1 C 132.647 0.45 3 99 11 11 PHE N N 119.578 0.3 1 100 12 12 MET H H 8.096 0.03 1 101 12 12 MET HA H 4.479 0.03 1 102 12 12 MET HB2 H 1.952 0.03 2 103 12 12 MET HB3 H 1.952 0.03 2 104 12 12 MET HG2 H 2.442 0.03 2 105 12 12 MET HG3 H 2.442 0.03 2 106 12 12 MET HE H 1.994 0.03 1 107 12 12 MET C C 175.337 0.45 1 108 12 12 MET CA C 55.251 0.45 1 109 12 12 MET CB C 33.38 0.45 1 110 12 12 MET CG C 31.86 0.45 1 111 12 12 MET CE C 16.975 0.45 1 112 12 12 MET N N 121.741 0.3 1 113 13 13 VAL H H 8.181 0.03 1 114 13 13 VAL HA H 4.147 0.03 1 115 13 13 VAL HB H 2.021 0.03 1 116 13 13 VAL HG1 H 0.922 0.03 2 117 13 13 VAL HG2 H 0.922 0.03 2 118 13 13 VAL C C 175.847 0.45 1 119 13 13 VAL CA C 62.246 0.45 1 120 13 13 VAL CB C 32.721 0.45 1 121 13 13 VAL CG1 C 21.062 0.45 2 122 13 13 VAL N N 122.285 0.3 1 123 14 14 VAL H H 8.22 0.03 1 124 14 14 VAL HA H 4.156 0.03 1 125 14 14 VAL HB H 2.035 0.03 1 126 14 14 VAL HG1 H 0.904 0.03 2 127 14 14 VAL HG2 H 0.88 0.03 2 128 14 14 VAL C C 175.389 0.45 1 129 14 14 VAL CA C 62.032 0.45 1 130 14 14 VAL CB C 33.059 0.45 1 131 14 14 VAL CG1 C 20.488 0.45 2 132 14 14 VAL CG2 C 21.159 0.45 2 133 14 14 VAL N N 123.851 0.3 1 134 15 15 ASP H H 8.378 0.03 1 135 15 15 ASP HA H 4.676 0.03 1 136 15 15 ASP HB2 H 2.579 0.03 2 137 15 15 ASP HB3 H 2.728 0.03 2 138 15 15 ASP C C 176.142 0.45 1 139 15 15 ASP CA C 54.024 0.45 1 140 15 15 ASP CB C 41.321 0.45 1 141 15 15 ASP N N 124.226 0.3 1 142 16 16 VAL H H 8.122 0.03 1 143 16 16 VAL HA H 4.217 0.03 1 144 16 16 VAL HB H 2.152 0.03 1 145 16 16 VAL HG1 H 0.924 0.03 2 146 16 16 VAL HG2 H 0.924 0.03 2 147 16 16 VAL C C 176.287 0.45 1 148 16 16 VAL CA C 62.248 0.45 1 149 16 16 VAL CB C 32.668 0.45 1 150 16 16 VAL CG1 C 20.201 0.45 2 151 16 16 VAL CG2 C 21.197 0.45 2 152 16 16 VAL N N 120.107 0.3 1 153 17 17 THR H H 8.42 0.03 1 154 17 17 THR HA H 4.346 0.03 1 155 17 17 THR HB H 4.208 0.03 1 156 17 17 THR HG2 H 1.19 0.03 1 157 17 17 THR C C 174.663 0.45 1 158 17 17 THR CA C 62.218 0.45 1 159 17 17 THR CB C 69.846 0.45 1 160 17 17 THR CG2 C 21.828 0.45 1 161 17 17 THR N N 117.322 0.3 1 162 18 18 ILE H H 8.029 0.03 1 163 18 18 ILE HA H 4.204 0.03 1 164 18 18 ILE HB H 1.872 0.03 1 165 18 18 ILE HG12 H 1.443 0.03 2 166 18 18 ILE HG13 H 1.159 0.03 2 167 18 18 ILE HG2 H 0.887 0.03 1 168 18 18 ILE HD1 H 0.845 0.03 1 169 18 18 ILE C C 176.186 0.45 1 170 18 18 ILE CA C 61.124 0.45 1 171 18 18 ILE CB C 38.701 0.45 1 172 18 18 ILE CG1 C 27.337 0.45 1 173 18 18 ILE CG2 C 17.508 0.45 1 174 18 18 ILE CD1 C 12.862 0.45 1 175 18 18 ILE N N 122.855 0.3 1 176 19 19 GLU H H 8.443 0.03 1 177 19 19 GLU HA H 4.249 0.03 1 178 19 19 GLU HB2 H 2.032 0.03 2 179 19 19 GLU HB3 H 1.906 0.03 2 180 19 19 GLU HG2 H 2.252 0.03 2 181 19 19 GLU HG3 H 2.252 0.03 2 182 19 19 GLU C C 176.259 0.45 1 183 19 19 GLU CA C 56.829 0.45 1 184 19 19 GLU CB C 30.233 0.45 1 185 19 19 GLU CG C 36.314 0.45 1 186 19 19 GLU N N 124.649 0.3 1 187 20 20 ASP H H 8.313 0.03 1 188 20 20 ASP HA H 4.579 0.03 1 189 20 20 ASP HB2 H 2.654 0.03 2 190 20 20 ASP HB3 H 2.654 0.03 2 191 20 20 ASP C C 176.325 0.45 1 192 20 20 ASP CA C 54.573 0.45 1 193 20 20 ASP CB C 41.191 0.45 1 194 20 20 ASP N N 121.336 0.3 1 195 21 21 SER H H 8.173 0.03 1 196 21 21 SER HA H 4.368 0.03 1 197 21 21 SER HB2 H 3.782 0.03 2 198 21 21 SER HB3 H 3.782 0.03 2 199 21 21 SER C C 174.358 0.45 1 200 21 21 SER CA C 58.676 0.45 1 201 21 21 SER CB C 63.729 0.45 1 202 21 21 SER N N 115.785 0.3 1 203 22 22 TYR H H 8.145 0.03 1 204 22 22 TYR HA H 4.592 0.03 1 205 22 22 TYR HB2 H 3.088 0.03 2 206 22 22 TYR HB3 H 2.979 0.03 2 207 22 22 TYR HD1 H 7.114 0.03 3 208 22 22 TYR HD2 H 7.114 0.03 3 209 22 22 TYR HE1 H 6.809 0.03 3 210 22 22 TYR HE2 H 6.809 0.03 3 211 22 22 TYR C C 175.994 0.45 1 212 22 22 TYR CA C 58.097 0.45 1 213 22 22 TYR CB C 38.733 0.45 1 214 22 22 TYR CD1 C 133.791 0.45 3 215 22 22 TYR CE1 C 118.129 0.45 3 216 22 22 TYR N N 121.622 0.3 1 217 23 23 SER H H 8.184 0.03 1 218 23 23 SER HA H 4.486 0.03 1 219 23 23 SER HB2 H 3.835 0.03 2 220 23 23 SER HB3 H 3.906 0.03 2 221 23 23 SER C C 174.743 0.45 1 222 23 23 SER CA C 58.311 0.45 1 223 23 23 SER CB C 63.923 0.45 1 224 23 23 SER N N 116.692 0.3 1 225 24 24 THR H H 8.162 0.03 1 226 24 24 THR HA H 4.354 0.03 1 227 24 24 THR HB H 4.328 0.03 1 228 24 24 THR HG2 H 1.22 0.03 1 229 24 24 THR C C 174.525 0.45 1 230 24 24 THR CA C 61.73 0.45 1 231 24 24 THR CB C 69.595 0.45 1 232 24 24 THR CG2 C 21.583 0.45 1 233 24 24 THR N N 115.265 0.3 1 234 25 25 GLU H H 8.335 0.03 1 235 25 25 GLU HA H 4.373 0.03 1 236 25 25 GLU HB2 H 1.938 0.03 2 237 25 25 GLU HB3 H 2.073 0.03 2 238 25 25 GLU HG2 H 2.319 0.03 2 239 25 25 GLU HG3 H 2.272 0.03 2 240 25 25 GLU C C 176.427 0.45 1 241 25 25 GLU CA C 56.757 0.45 1 242 25 25 GLU CB C 30.337 0.45 1 243 25 25 GLU CG C 36.216 0.45 1 244 25 25 GLU N N 122.819 0.3 1 245 26 26 SER H H 8.462 0.03 1 246 26 26 SER HA H 4.801 0.03 1 247 26 26 SER HB2 H 3.536 0.03 2 248 26 26 SER HB3 H 3.536 0.03 2 249 26 26 SER C C 171.985 0.45 1 250 26 26 SER CA C 58.079 0.45 1 251 26 26 SER CB C 65.757 0.45 1 252 26 26 SER N N 117.945 0.3 1 253 27 27 ALA H H 8.91 0.03 1 254 27 27 ALA HA H 4.635 0.03 1 255 27 27 ALA HB H 1.207 0.03 1 256 27 27 ALA C C 174.399 0.45 1 257 27 27 ALA CA C 50.685 0.45 1 258 27 27 ALA CB C 22.349 0.45 1 259 27 27 ALA N N 125.46 0.3 1 260 28 28 TRP H H 8.274 0.03 1 261 28 28 TRP HA H 5.272 0.03 1 262 28 28 TRP HB2 H 2.67 0.03 2 263 28 28 TRP HB3 H 3.166 0.03 2 264 28 28 TRP HD1 H 6.855 0.03 1 265 28 28 TRP HE1 H 10.072 0.03 1 266 28 28 TRP HE3 H 7.287 0.03 1 267 28 28 TRP HZ2 H 7.234 0.03 1 268 28 28 TRP HZ3 H 6.725 0.03 1 269 28 28 TRP HH2 H 6.705 0.03 1 270 28 28 TRP C C 175.529 0.45 1 271 28 28 TRP CA C 56.174 0.45 1 272 28 28 TRP CB C 32.096 0.45 1 273 28 28 TRP CD1 C 126.278 0.45 1 274 28 28 TRP CZ2 C 114.497 0.45 1 275 28 28 TRP CZ3 C 120.314 0.45 1 276 28 28 TRP CH2 C 123.424 0.45 1 277 28 28 TRP N N 118.676 0.3 1 278 28 28 TRP NE1 N 128.599 0.3 1 279 29 29 VAL H H 9.297 0.03 1 280 29 29 VAL HA H 4.672 0.03 1 281 29 29 VAL HB H 1.317 0.03 1 282 29 29 VAL HG1 H -0.084 0.03 2 283 29 29 VAL HG2 H 0.073 0.03 2 284 29 29 VAL C C 172.196 0.45 1 285 29 29 VAL CA C 59.452 0.45 1 286 29 29 VAL CB C 35.26 0.45 1 287 29 29 VAL CG1 C 19.398 0.45 2 288 29 29 VAL CG2 C 19.491 0.45 2 289 29 29 VAL N N 121.179 0.3 1 290 30 30 ARG H H 8.016 0.03 1 291 30 30 ARG HA H 4.504 0.03 1 292 30 30 ARG HB2 H 1.001 0.03 2 293 30 30 ARG HB3 H -0.016 0.03 2 294 30 30 ARG HG2 H 0.609 0.03 2 295 30 30 ARG HG3 H 0.124 0.03 2 296 30 30 ARG HD2 H 2.303 0.03 2 297 30 30 ARG HD3 H 2.303 0.03 2 298 30 30 ARG HE H 6.594 0.03 1 299 30 30 ARG C C 175.806 0.45 1 300 30 30 ARG CA C 53.949 0.45 1 301 30 30 ARG CB C 31.613 0.45 1 302 30 30 ARG CG C 26.33 0.45 1 303 30 30 ARG CD C 43.78 0.45 1 304 30 30 ARG N N 126.232 0.3 1 305 30 30 ARG NE N 108.74 0.3 1 306 31 31 CYS H H 8.685 0.03 1 307 31 31 CYS HA H 4.755 0.03 1 308 31 31 CYS HB2 H 3.329 0.03 2 309 31 31 CYS HB3 H 3.556 0.03 2 310 31 31 CYS C C 178.193 0.45 1 311 31 31 CYS CA C 59.675 0.45 1 312 31 31 CYS CB C 32.383 0.45 1 313 31 31 CYS N N 127.436 0.3 1 314 32 32 ASP H H 9.481 0.03 1 315 32 32 ASP HA H 4.547 0.03 1 316 32 32 ASP HB2 H 2.518 0.03 2 317 32 32 ASP HB3 H 2.652 0.03 2 318 32 32 ASP C C 174.928 0.45 1 319 32 32 ASP CA C 57.185 0.45 1 320 32 32 ASP CB C 42.336 0.45 1 321 32 32 ASP N N 128.794 0.3 1 322 33 33 ASP H H 9.464 0.03 1 323 33 33 ASP HA H 4.844 0.03 1 324 33 33 ASP HB2 H 2.499 0.03 2 325 33 33 ASP HB3 H 2.593 0.03 2 326 33 33 ASP C C 176.846 0.45 1 327 33 33 ASP CA C 55.76 0.45 1 328 33 33 ASP CB C 42.231 0.45 1 329 33 33 ASP N N 121.055 0.3 1 330 34 34 CYS H H 9.104 0.03 1 331 34 34 CYS HA H 4.79 0.03 1 332 34 34 CYS HB2 H 3.312 0.03 2 333 34 34 CYS HB3 H 2.783 0.03 2 334 34 34 CYS C C 176.707 0.45 1 335 34 34 CYS CA C 59.001 0.45 1 336 34 34 CYS CB C 32.302 0.45 1 337 34 34 CYS N N 121.687 0.3 1 338 35 35 PHE H H 7.702 0.03 1 339 35 35 PHE HA H 4.42 0.03 1 340 35 35 PHE HB2 H 3.325 0.03 2 341 35 35 PHE HB3 H 3.325 0.03 2 342 35 35 PHE HD1 H 7.069 0.03 3 343 35 35 PHE HD2 H 7.069 0.03 3 344 35 35 PHE HE1 H 7.292 0.03 3 345 35 35 PHE HE2 H 7.292 0.03 3 346 35 35 PHE C C 174.905 0.45 1 347 35 35 PHE CA C 59.14 0.45 1 348 35 35 PHE CB C 36.408 0.45 1 349 35 35 PHE CD1 C 131.116 0.45 3 350 35 35 PHE CE1 C 131.236 0.45 3 351 35 35 PHE N N 118.769 0.3 1 352 36 36 LYS H H 8.69 0.03 1 353 36 36 LYS HA H 4.528 0.03 1 354 36 36 LYS HB2 H 2.091 0.03 2 355 36 36 LYS HB3 H 2.091 0.03 2 356 36 36 LYS HG2 H 1.49 0.03 2 357 36 36 LYS HG3 H 1.49 0.03 2 358 36 36 LYS HD2 H 1.681 0.03 2 359 36 36 LYS HD3 H 1.681 0.03 2 360 36 36 LYS HE2 H 2.969 0.03 2 361 36 36 LYS HE3 H 2.969 0.03 2 362 36 36 LYS C C 176.115 0.45 1 363 36 36 LYS CA C 58.067 0.45 1 364 36 36 LYS CB C 33.952 0.45 1 365 36 36 LYS CG C 26.631 0.45 1 366 36 36 LYS CE C 42.717 0.45 1 367 36 36 LYS N N 121.499 0.3 1 368 37 37 TRP H H 8.554 0.03 1 369 37 37 TRP HA H 5.007 0.03 1 370 37 37 TRP HB2 H 2.685 0.03 2 371 37 37 TRP HB3 H 3.188 0.03 2 372 37 37 TRP HD1 H 7.293 0.03 1 373 37 37 TRP HE1 H 9.944 0.03 1 374 37 37 TRP HE3 H 7.277 0.03 1 375 37 37 TRP HZ2 H 7.299 0.03 1 376 37 37 TRP HZ3 H 6.845 0.03 1 377 37 37 TRP HH2 H 7.006 0.03 1 378 37 37 TRP C C 177.215 0.45 1 379 37 37 TRP CA C 56.662 0.45 1 380 37 37 TRP CB C 31.719 0.45 1 381 37 37 TRP CD1 C 127.507 0.45 1 382 37 37 TRP CE3 C 120.193 0.45 1 383 37 37 TRP CZ2 C 114.464 0.45 1 384 37 37 TRP CZ3 C 121.767 0.45 1 385 37 37 TRP CH2 C 124.254 0.45 1 386 37 37 TRP N N 120.92 0.3 1 387 37 37 TRP NE1 N 128.239 0.3 1 388 38 38 ARG H H 10.07 0.03 1 389 38 38 ARG HA H 4.553 0.03 1 390 38 38 ARG HB2 H 2.011 0.03 2 391 38 38 ARG HB3 H 2.011 0.03 2 392 38 38 ARG HG2 H 1.668 0.03 2 393 38 38 ARG HG3 H 1.668 0.03 2 394 38 38 ARG HD2 H 3.184 0.03 2 395 38 38 ARG HD3 H 3.184 0.03 2 396 38 38 ARG HE H 8.826 0.03 1 397 38 38 ARG C C 173.478 0.45 1 398 38 38 ARG CA C 52.987 0.45 1 399 38 38 ARG CB C 33.499 0.45 1 400 38 38 ARG CD C 44.718 0.45 1 401 38 38 ARG N N 122.094 0.3 1 402 38 38 ARG NE N 111.822 0.3 1 403 39 39 ARG H H 8.188 0.03 1 404 39 39 ARG HA H 3.773 0.03 1 405 39 39 ARG HB2 H 1.015 0.03 2 406 39 39 ARG HB3 H 0.357 0.03 2 407 39 39 ARG HG2 H 0.51 0.03 2 408 39 39 ARG HG3 H 0.379 0.03 2 409 39 39 ARG HD2 H 2.738 0.03 2 410 39 39 ARG HD3 H 2.738 0.03 2 411 39 39 ARG HE H 7.365 0.03 1 412 39 39 ARG C C 176.524 0.45 1 413 39 39 ARG CA C 55.492 0.45 1 414 39 39 ARG CB C 30.651 0.45 1 415 39 39 ARG CG C 26.651 0.45 1 416 39 39 ARG CD C 43.465 0.45 1 417 39 39 ARG N N 125.822 0.3 1 418 39 39 ARG NE N 107.41 0.3 1 419 40 40 ILE H H 8.674 0.03 1 420 40 40 ILE HA H 4.873 0.03 1 421 40 40 ILE HB H 1.677 0.03 1 422 40 40 ILE HG12 H 1.032 0.03 2 423 40 40 ILE HG13 H 0.662 0.03 2 424 40 40 ILE HG2 H 0.657 0.03 1 425 40 40 ILE HD1 H 0.394 0.03 1 426 40 40 ILE CA C 57.785 0.45 1 427 40 40 ILE CB C 40.351 0.45 1 428 40 40 ILE CG1 C 25.295 0.45 1 429 40 40 ILE CG2 C 17.468 0.45 1 430 40 40 ILE CD1 C 13.607 0.45 1 431 40 40 ILE N N 124.21 0.3 1 432 41 41 PRO HA H 4.474 0.03 1 433 41 41 PRO HB2 H 2.425 0.03 2 434 41 41 PRO HB3 H 1.874 0.03 2 435 41 41 PRO HG2 H 1.911 0.03 2 436 41 41 PRO HG3 H 2.092 0.03 2 437 41 41 PRO HD2 H 3.491 0.03 2 438 41 41 PRO HD3 H 3.915 0.03 2 439 41 41 PRO C C 177.841 0.45 1 440 41 41 PRO CA C 63.042 0.45 1 441 41 41 PRO CB C 31.97 0.45 1 442 41 41 PRO CG C 27.864 0.45 1 443 41 41 PRO CD C 50.794 0.45 1 444 42 42 ALA H H 8.519 0.03 1 445 42 42 ALA HA H 3.884 0.03 1 446 42 42 ALA HB H 1.237 0.03 1 447 42 42 ALA C C 179.268 0.45 1 448 42 42 ALA CA C 54.555 0.45 1 449 42 42 ALA CB C 18.191 0.45 1 450 42 42 ALA N N 126.105 0.3 1 451 43 43 SER H H 8.308 0.03 1 452 43 43 SER HA H 4.179 0.03 1 453 43 43 SER HB2 H 3.86 0.03 2 454 43 43 SER HB3 H 3.94 0.03 2 455 43 43 SER C C 175.807 0.45 1 456 43 43 SER CA C 59.727 0.45 1 457 43 43 SER CB C 62.666 0.45 1 458 43 43 SER N N 111.263 0.3 1 459 44 44 VAL H H 7.609 0.03 1 460 44 44 VAL HA H 4.179 0.03 1 461 44 44 VAL HB H 2.204 0.03 1 462 44 44 VAL HG1 H 0.962 0.03 2 463 44 44 VAL HG2 H 1.015 0.03 2 464 44 44 VAL C C 177.559 0.45 1 465 44 44 VAL CA C 62.979 0.45 1 466 44 44 VAL CB C 32.221 0.45 1 467 44 44 VAL CG1 C 21.319 0.45 2 468 44 44 VAL CG2 C 21.521 0.45 2 469 44 44 VAL N N 119.794 0.3 1 470 45 45 VAL H H 7.424 0.03 1 471 45 45 VAL HA H 3.616 0.03 1 472 45 45 VAL HB H 1.957 0.03 1 473 45 45 VAL HG1 H 0.865 0.03 2 474 45 45 VAL HG2 H 0.858 0.03 2 475 45 45 VAL C C 177.103 0.45 1 476 45 45 VAL CA C 65.202 0.45 1 477 45 45 VAL CB C 31.764 0.45 1 478 45 45 VAL CG1 C 20.751 0.45 2 479 45 45 VAL CG2 C 22.211 0.45 2 480 45 45 VAL N N 121.799 0.3 1 481 46 46 GLY H H 8.366 0.03 1 482 46 46 GLY HA2 H 3.915 0.03 2 483 46 46 GLY HA3 H 3.991 0.03 2 484 46 46 GLY C C 174.518 0.45 1 485 46 46 GLY CA C 45.94 0.45 1 486 46 46 GLY N N 108.605 0.3 1 487 47 47 SER H H 7.914 0.03 1 488 47 47 SER HA H 4.55 0.03 1 489 47 47 SER HB2 H 3.981 0.03 2 490 47 47 SER HB3 H 3.981 0.03 2 491 47 47 SER C C 174.492 0.45 1 492 47 47 SER CA C 58.565 0.45 1 493 47 47 SER CB C 64.228 0.45 1 494 47 47 SER N N 114.76 0.3 1 495 48 48 ILE H H 7.71 0.03 1 496 48 48 ILE HA H 4.169 0.03 1 497 48 48 ILE HB H 1.892 0.03 1 498 48 48 ILE HG12 H 1.153 0.03 2 499 48 48 ILE HG13 H 1.568 0.03 2 500 48 48 ILE HG2 H 0.872 0.03 1 501 48 48 ILE HD1 H 0.697 0.03 1 502 48 48 ILE C C 175.85 0.45 1 503 48 48 ILE CA C 61.66 0.45 1 504 48 48 ILE CB C 38.386 0.45 1 505 48 48 ILE CG1 C 27.329 0.45 1 506 48 48 ILE CG2 C 17.423 0.45 1 507 48 48 ILE CD1 C 13.304 0.45 1 508 48 48 ILE N N 123.473 0.3 1 509 49 49 ASP H H 8.457 0.03 1 510 49 49 ASP HA H 4.656 0.03 1 511 49 49 ASP HB2 H 2.791 0.03 2 512 49 49 ASP HB3 H 2.791 0.03 2 513 49 49 ASP C C 177.171 0.45 1 514 49 49 ASP CA C 54.019 0.45 1 515 49 49 ASP CB C 41.643 0.45 1 516 49 49 ASP N N 125.603 0.3 1 517 50 50 GLU H H 8.682 0.03 1 518 50 50 GLU HA H 4.228 0.03 1 519 50 50 GLU HB2 H 2.081 0.03 2 520 50 50 GLU HB3 H 2.119 0.03 2 521 50 50 GLU HG2 H 2.344 0.03 2 522 50 50 GLU HG3 H 2.344 0.03 2 523 50 50 GLU C C 176.933 0.45 1 524 50 50 GLU CA C 58.244 0.45 1 525 50 50 GLU CB C 29.694 0.45 1 526 50 50 GLU CG C 36.467 0.45 1 527 50 50 GLU N N 121.871 0.3 1 528 51 51 SER H H 8.447 0.03 1 529 51 51 SER HA H 4.532 0.03 1 530 51 51 SER HB2 H 4.016 0.03 2 531 51 51 SER HB3 H 3.957 0.03 2 532 51 51 SER C C 174.591 0.45 1 533 51 51 SER CA C 58.793 0.45 1 534 51 51 SER CB C 63.947 0.45 1 535 51 51 SER N N 114.757 0.3 1 536 52 52 SER H H 7.99 0.03 1 537 52 52 SER HA H 4.536 0.03 1 538 52 52 SER HB2 H 3.953 0.03 2 539 52 52 SER HB3 H 3.953 0.03 2 540 52 52 SER C C 173.508 0.45 1 541 52 52 SER CA C 58.412 0.45 1 542 52 52 SER CB C 64.273 0.45 1 543 52 52 SER N N 118.326 0.3 1 544 53 53 ARG H H 8.315 0.03 1 545 53 53 ARG HA H 4.56 0.03 1 546 53 53 ARG HB2 H 1.726 0.03 2 547 53 53 ARG HB3 H 1.726 0.03 2 548 53 53 ARG HG2 H 1.484 0.03 2 549 53 53 ARG HG3 H 1.484 0.03 2 550 53 53 ARG HD2 H 3.146 0.03 2 551 53 53 ARG HD3 H 3.237 0.03 2 552 53 53 ARG C C 175.032 0.45 1 553 53 53 ARG CA C 55.781 0.45 1 554 53 53 ARG CB C 31.561 0.45 1 555 53 53 ARG CG C 27.911 0.45 1 556 53 53 ARG CD C 43.358 0.45 1 557 53 53 ARG N N 122.755 0.3 1 558 54 54 TRP H H 9.192 0.03 1 559 54 54 TRP HA H 4.377 0.03 1 560 54 54 TRP HB2 H 3.33 0.03 2 561 54 54 TRP HB3 H 2.899 0.03 2 562 54 54 TRP HD1 H 7.23 0.03 1 563 54 54 TRP HE1 H 10.053 0.03 1 564 54 54 TRP HE3 H 7.185 0.03 1 565 54 54 TRP HZ2 H 6.785 0.03 1 566 54 54 TRP HZ3 H 6.605 0.03 1 567 54 54 TRP HH2 H 6.775 0.03 1 568 54 54 TRP C C 174.293 0.45 1 569 54 54 TRP CA C 59.878 0.45 1 570 54 54 TRP CB C 31.967 0.45 1 571 54 54 TRP CD1 C 126.174 0.45 1 572 54 54 TRP CE3 C 121.856 0.45 1 573 54 54 TRP CZ2 C 112.805 0.45 1 574 54 54 TRP CZ3 C 120.227 0.45 1 575 54 54 TRP CH2 C 122.72 0.45 1 576 54 54 TRP N N 129.055 0.3 1 577 54 54 TRP NE1 N 127.881 0.3 1 578 55 55 ILE H H 7.025 0.03 1 579 55 55 ILE HA H 5.682 0.03 1 580 55 55 ILE HB H 1.86 0.03 1 581 55 55 ILE HG12 H 0.766 0.03 2 582 55 55 ILE HG13 H 0.766 0.03 2 583 55 55 ILE HG2 H 0.775 0.03 1 584 55 55 ILE HD1 H 0.758 0.03 1 585 55 55 ILE C C 175.625 0.45 1 586 55 55 ILE CA C 58.122 0.45 1 587 55 55 ILE CB C 42.876 0.45 1 588 55 55 ILE CG1 C 25.1 0.45 1 589 55 55 ILE CG2 C 18.22 0.45 1 590 55 55 ILE CD1 C 13.718 0.45 1 591 55 55 ILE N N 119.387 0.3 1 592 56 56 CYS H H 8.603 0.03 1 593 56 56 CYS HA H 3.563 0.03 1 594 56 56 CYS HB2 H 2.745 0.03 2 595 56 56 CYS HB3 H 2.882 0.03 2 596 56 56 CYS C C 177.372 0.45 1 597 56 56 CYS CA C 66.706 0.45 1 598 56 56 CYS CB C 29.748 0.45 1 599 56 56 CYS N N 121.275 0.3 1 600 57 57 MET H H 7.688 0.03 1 601 57 57 MET HA H 4.321 0.03 1 602 57 57 MET HB2 H 1.961 0.03 2 603 57 57 MET HB3 H 1.961 0.03 2 604 57 57 MET HG2 H 2.522 0.03 2 605 57 57 MET HG3 H 2.522 0.03 2 606 57 57 MET HE H 2.087 0.03 1 607 57 57 MET C C 176.433 0.45 1 608 57 57 MET CA C 57.885 0.45 1 609 57 57 MET CB C 32.386 0.45 1 610 57 57 MET CG C 31.587 0.45 1 611 57 57 MET CE C 16.921 0.45 1 612 57 57 MET N N 113.172 0.3 1 613 58 58 ASN H H 8.186 0.03 1 614 58 58 ASN HA H 4.428 0.03 1 615 58 58 ASN HB2 H 1.728 0.03 2 616 58 58 ASN HB3 H 2.742 0.03 2 617 58 58 ASN HD21 H 6.783 0.03 2 618 58 58 ASN HD22 H 6.873 0.03 2 619 58 58 ASN CB C 38.447 0.45 1 620 58 58 ASN N N 116.715 0.3 1 621 58 58 ASN ND2 N 107.245 0.3 1 622 59 59 ASN H H 8.103 0.03 1 623 59 59 ASN HA H 4.613 0.03 1 624 59 59 ASN HB2 H 3.336 0.03 2 625 59 59 ASN HB3 H 3.035 0.03 2 626 59 59 ASN HD21 H 8.381 0.03 2 627 59 59 ASN HD22 H 7.702 0.03 2 628 59 59 ASN C C 175.697 0.45 1 629 59 59 ASN CA C 53.895 0.45 1 630 59 59 ASN CB C 38.943 0.45 1 631 59 59 ASN N N 121.766 0.3 1 632 59 59 ASN ND2 N 111.789 0.3 1 633 60 60 SER H H 8.777 0.03 1 634 60 60 SER HA H 4.299 0.03 1 635 60 60 SER HB2 H 4.055 0.03 2 636 60 60 SER HB3 H 4.02 0.03 2 637 60 60 SER C C 174.617 0.45 1 638 60 60 SER CA C 60.042 0.45 1 639 60 60 SER CB C 63.192 0.45 1 640 60 60 SER N N 121.841 0.3 1 641 61 61 ASP H H 7.807 0.03 1 642 61 61 ASP HA H 4.682 0.03 1 643 61 61 ASP HB2 H 2.669 0.03 2 644 61 61 ASP HB3 H 3.204 0.03 2 645 61 61 ASP C C 176.705 0.45 1 646 61 61 ASP CA C 52.81 0.45 1 647 61 61 ASP CB C 40.426 0.45 1 648 61 61 ASP N N 121.382 0.3 1 649 62 62 LYS H H 8.492 0.03 1 650 62 62 LYS HA H 4.035 0.03 1 651 62 62 LYS HB2 H 1.854 0.03 2 652 62 62 LYS HB3 H 1.963 0.03 2 653 62 62 LYS HG2 H 1.584 0.03 2 654 62 62 LYS HG3 H 1.584 0.03 2 655 62 62 LYS HD2 H 1.606 0.03 2 656 62 62 LYS HD3 H 1.606 0.03 2 657 62 62 LYS HE2 H 3.023 0.03 2 658 62 62 LYS HE3 H 3.023 0.03 2 659 62 62 LYS C C 178.026 0.45 1 660 62 62 LYS CA C 57.16 0.45 1 661 62 62 LYS CB C 31.054 0.45 1 662 62 62 LYS CG C 24.373 0.45 1 663 62 62 LYS CD C 28.774 0.45 1 664 62 62 LYS CE C 42.424 0.45 1 665 62 62 LYS N N 124.064 0.3 1 666 63 63 ARG H H 8.041 0.03 1 667 63 63 ARG HA H 3.888 0.03 1 668 63 63 ARG HB2 H 1.029 0.03 2 669 63 63 ARG HB3 H 1.531 0.03 2 670 63 63 ARG HG2 H 1.439 0.03 2 671 63 63 ARG HG3 H 1.583 0.03 2 672 63 63 ARG HD2 H 3.258 0.03 2 673 63 63 ARG HD3 H 3.258 0.03 2 674 63 63 ARG C C 176.952 0.45 1 675 63 63 ARG CA C 58.187 0.45 1 676 63 63 ARG CB C 30.731 0.45 1 677 63 63 ARG CG C 26.219 0.45 1 678 63 63 ARG CD C 43.325 0.45 1 679 63 63 ARG N N 118.443 0.3 1 680 64 64 PHE H H 7.538 0.03 1 681 64 64 PHE HA H 4.834 0.03 1 682 64 64 PHE HB2 H 2.575 0.03 2 683 64 64 PHE HB3 H 3.558 0.03 2 684 64 64 PHE HD1 H 7.291 0.03 3 685 64 64 PHE HD2 H 7.291 0.03 3 686 64 64 PHE HE1 H 7.249 0.03 3 687 64 64 PHE HE2 H 7.249 0.03 3 688 64 64 PHE C C 175.547 0.45 1 689 64 64 PHE CA C 55.698 0.45 1 690 64 64 PHE CB C 40.987 0.45 1 691 64 64 PHE CD1 C 129.464 0.45 3 692 64 64 PHE CE1 C 129.717 0.45 3 693 64 64 PHE N N 114.183 0.3 1 694 65 65 ALA H H 7.302 0.03 1 695 65 65 ALA HA H 5.013 0.03 1 696 65 65 ALA HB H 1.433 0.03 1 697 65 65 ALA C C 175.07 0.45 1 698 65 65 ALA CA C 51.445 0.45 1 699 65 65 ALA CB C 19.602 0.45 1 700 65 65 ALA N N 122.907 0.3 1 701 66 66 ASP H H 7.274 0.03 1 702 66 66 ASP HA H 4.663 0.03 1 703 66 66 ASP HB2 H 2.527 0.03 2 704 66 66 ASP HB3 H 2.782 0.03 2 705 66 66 ASP C C 175.918 0.45 1 706 66 66 ASP CA C 53.996 0.45 1 707 66 66 ASP CB C 45.262 0.45 1 708 66 66 ASP N N 114.147 0.3 1 709 67 67 CYS H H 8.537 0.03 1 710 67 67 CYS HA H 4.921 0.03 1 711 67 67 CYS HB2 H 3.017 0.03 2 712 67 67 CYS HB3 H 2.66 0.03 2 713 67 67 CYS C C 175.728 0.45 1 714 67 67 CYS CA C 62.764 0.45 1 715 67 67 CYS CB C 30.808 0.45 1 716 67 67 CYS N N 124.963 0.3 1 717 68 68 SER H H 8.86 0.03 1 718 68 68 SER HA H 4.309 0.03 1 719 68 68 SER HB2 H 3.858 0.03 2 720 68 68 SER HB3 H 3.975 0.03 2 721 68 68 SER C C 176.044 0.45 1 722 68 68 SER CA C 59.702 0.45 1 723 68 68 SER CB C 63.684 0.45 1 724 68 68 SER N N 113.133 0.3 1 725 69 69 LYS H H 7.659 0.03 1 726 69 69 LYS HA H 4.479 0.03 1 727 69 69 LYS HB2 H 2.078 0.03 2 728 69 69 LYS HB3 H 2.225 0.03 2 729 69 69 LYS HG2 H 1.604 0.03 2 730 69 69 LYS HG3 H 1.604 0.03 2 731 69 69 LYS HD2 H 1.702 0.03 2 732 69 69 LYS HD3 H 1.702 0.03 2 733 69 69 LYS HE2 H 2.904 0.03 2 734 69 69 LYS HE3 H 2.904 0.03 2 735 69 69 LYS C C 178.233 0.45 1 736 69 69 LYS CA C 54.662 0.45 1 737 69 69 LYS CB C 31.622 0.45 1 738 69 69 LYS CG C 24.305 0.45 1 739 69 69 LYS N N 122.83 0.3 1 740 70 70 SER H H 8.967 0.03 1 741 70 70 SER HA H 4.245 0.03 1 742 70 70 SER HB2 H 3.96 0.03 2 743 70 70 SER HB3 H 4.071 0.03 2 744 70 70 SER C C 174.311 0.45 1 745 70 70 SER CA C 59.312 0.45 1 746 70 70 SER CB C 63.543 0.45 1 747 70 70 SER N N 121.322 0.3 1 748 71 71 GLN H H 9.038 0.03 1 749 71 71 GLN HA H 4.188 0.03 1 750 71 71 GLN HB2 H 2.15 0.03 2 751 71 71 GLN HB3 H 2.208 0.03 2 752 71 71 GLN HG2 H 2.943 0.03 2 753 71 71 GLN HG3 H 2.943 0.03 2 754 71 71 GLN HE21 H 7.584 0.03 2 755 71 71 GLN HE22 H 8.144 0.03 2 756 71 71 GLN C C 177.485 0.45 1 757 71 71 GLN CA C 57.525 0.45 1 758 71 71 GLN CB C 31.765 0.45 1 759 71 71 GLN CG C 36.342 0.45 1 760 71 71 GLN N N 123.59 0.3 1 761 71 71 GLN NE2 N 113.203 0.3 1 762 72 72 GLU H H 9.505 0.03 1 763 72 72 GLU HA H 3.968 0.03 1 764 72 72 GLU HB2 H 1.706 0.03 2 765 72 72 GLU HB3 H 1.706 0.03 2 766 72 72 GLU HG2 H 2.228 0.03 2 767 72 72 GLU HG3 H 2.328 0.03 2 768 72 72 GLU C C 175.135 0.45 1 769 72 72 GLU CA C 59.16 0.45 1 770 72 72 GLU CB C 31.104 0.45 1 771 72 72 GLU CG C 35.938 0.45 1 772 72 72 GLU N N 127.335 0.3 1 773 73 73 MET H H 7.237 0.03 1 774 73 73 MET HA H 4.73 0.03 1 775 73 73 MET HB2 H 1.74 0.03 2 776 73 73 MET HB3 H 2.232 0.03 2 777 73 73 MET HG2 H 2.431 0.03 2 778 73 73 MET HG3 H 2.496 0.03 2 779 73 73 MET HE H 1.985 0.03 1 780 73 73 MET C C 174.403 0.45 1 781 73 73 MET CA C 53.774 0.45 1 782 73 73 MET CB C 36.633 0.45 1 783 73 73 MET CG C 31.872 0.45 1 784 73 73 MET CE C 17.036 0.45 1 785 73 73 MET N N 113.286 0.3 1 786 74 74 SER H H 8.789 0.03 1 787 74 74 SER HA H 4.442 0.03 1 788 74 74 SER HB2 H 4.029 0.03 2 789 74 74 SER HB3 H 4.298 0.03 2 790 74 74 SER C C 174.455 0.45 1 791 74 74 SER CA C 57.99 0.45 1 792 74 74 SER CB C 64.942 0.45 1 793 74 74 SER N N 116.635 0.3 1 794 75 75 ASN H H 9.043 0.03 1 795 75 75 ASN HA H 4.16 0.03 1 796 75 75 ASN HB2 H 2.74 0.03 2 797 75 75 ASN HB3 H 2.74 0.03 2 798 75 75 ASN HD21 H 7.654 0.03 2 799 75 75 ASN HD22 H 6.997 0.03 2 800 75 75 ASN C C 176.869 0.45 1 801 75 75 ASN CA C 55.95 0.45 1 802 75 75 ASN CB C 37.557 0.45 1 803 75 75 ASN N N 119.833 0.3 1 804 75 75 ASN ND2 N 111.383 0.3 1 805 76 76 GLU H H 8.799 0.03 1 806 76 76 GLU HA H 3.966 0.03 1 807 76 76 GLU HB2 H 2.026 0.03 2 808 76 76 GLU HB3 H 1.939 0.03 2 809 76 76 GLU HG2 H 2.246 0.03 2 810 76 76 GLU HG3 H 2.422 0.03 2 811 76 76 GLU C C 178.768 0.45 1 812 76 76 GLU CA C 60.128 0.45 1 813 76 76 GLU CB C 28.916 0.45 1 814 76 76 GLU CG C 37.213 0.45 1 815 76 76 GLU N N 118.742 0.3 1 816 77 77 GLU H H 7.706 0.03 1 817 77 77 GLU HA H 3.96 0.03 1 818 77 77 GLU HB2 H 2.063 0.03 2 819 77 77 GLU HB3 H 2.063 0.03 2 820 77 77 GLU HG2 H 2.25 0.03 2 821 77 77 GLU HG3 H 2.25 0.03 2 822 77 77 GLU C C 178.996 0.45 1 823 77 77 GLU CA C 58.782 0.45 1 824 77 77 GLU CB C 30.227 0.45 1 825 77 77 GLU CG C 37.55 0.45 1 826 77 77 GLU N N 120.733 0.3 1 827 78 78 ILE H H 7.929 0.03 1 828 78 78 ILE HA H 3.031 0.03 1 829 78 78 ILE HB H 1.08 0.03 1 830 78 78 ILE HG12 H 0.914 0.03 2 831 78 78 ILE HG13 H -0.454 0.03 2 832 78 78 ILE HG2 H -0.642 0.03 1 833 78 78 ILE HD1 H -0.1 0.03 1 834 78 78 ILE C C 176.915 0.45 1 835 78 78 ILE CA C 64.398 0.45 1 836 78 78 ILE CB C 37.41 0.45 1 837 78 78 ILE CG1 C 28.339 0.45 1 838 78 78 ILE CG2 C 15.082 0.45 1 839 78 78 ILE CD1 C 13.766 0.45 1 840 78 78 ILE N N 122.597 0.3 1 841 79 79 ASN H H 8.019 0.03 1 842 79 79 ASN HA H 4.143 0.03 1 843 79 79 ASN HB2 H 2.72 0.03 2 844 79 79 ASN HB3 H 2.72 0.03 2 845 79 79 ASN HD21 H 7.369 0.03 2 846 79 79 ASN HD22 H 6.57 0.03 2 847 79 79 ASN C C 177.631 0.45 1 848 79 79 ASN CA C 55.149 0.45 1 849 79 79 ASN CB C 37.418 0.45 1 850 79 79 ASN CG C 173.581 0.45 1 851 79 79 ASN N N 118.555 0.3 1 852 79 79 ASN ND2 N 109.305 0.3 1 853 80 80 GLU H H 7.647 0.03 1 854 80 80 GLU HA H 4.038 0.03 1 855 80 80 GLU HB2 H 2.032 0.03 2 856 80 80 GLU HB3 H 2.032 0.03 2 857 80 80 GLU HG2 H 2.309 0.03 2 858 80 80 GLU HG3 H 2.2 0.03 2 859 80 80 GLU C C 178.694 0.45 1 860 80 80 GLU CA C 58.746 0.45 1 861 80 80 GLU CB C 29.591 0.45 1 862 80 80 GLU CG C 36.208 0.45 1 863 80 80 GLU N N 119.398 0.3 1 864 81 81 GLU H H 7.834 0.03 1 865 81 81 GLU HA H 4.04 0.03 1 866 81 81 GLU HB2 H 2.045 0.03 2 867 81 81 GLU HB3 H 2.045 0.03 2 868 81 81 GLU HG2 H 2.291 0.03 2 869 81 81 GLU HG3 H 2.291 0.03 2 870 81 81 GLU C C 178.256 0.45 1 871 81 81 GLU CA C 58.894 0.45 1 872 81 81 GLU CB C 29.654 0.45 1 873 81 81 GLU CG C 36.516 0.45 1 874 81 81 GLU N N 121.214 0.3 1 875 82 82 LEU H H 8.02 0.03 1 876 82 82 LEU HA H 4.164 0.03 1 877 82 82 LEU HB2 H 1.388 0.03 2 878 82 82 LEU HB3 H 1.575 0.03 2 879 82 82 LEU HG H 1.406 0.03 1 880 82 82 LEU HD1 H 0.29 0.03 2 881 82 82 LEU HD2 H 0.688 0.03 2 882 82 82 LEU C C 177.915 0.45 1 883 82 82 LEU CA C 55.495 0.45 1 884 82 82 LEU CB C 42.827 0.45 1 885 82 82 LEU CG C 26.292 0.45 1 886 82 82 LEU CD1 C 25.259 0.45 2 887 82 82 LEU CD2 C 22.709 0.45 2 888 82 82 LEU N N 117.79 0.3 1 889 83 83 GLY H H 7.852 0.03 1 890 83 83 GLY HA2 H 3.882 0.03 2 891 83 83 GLY HA3 H 3.94 0.03 2 892 83 83 GLY C C 174.685 0.45 1 893 83 83 GLY CA C 45.919 0.45 1 894 83 83 GLY N N 108.389 0.3 1 895 84 84 ILE H H 7.829 0.03 1 896 84 84 ILE HA H 4.145 0.03 1 897 84 84 ILE HB H 1.737 0.03 1 898 84 84 ILE HG12 H 1.344 0.03 2 899 84 84 ILE HG13 H 1.019 0.03 2 900 84 84 ILE HG2 H 0.822 0.03 1 901 84 84 ILE HD1 H 0.768 0.03 1 902 84 84 ILE C C 176.571 0.45 1 903 84 84 ILE CA C 61.036 0.45 1 904 84 84 ILE CB C 38.928 0.45 1 905 84 84 ILE CG1 C 27.048 0.45 1 906 84 84 ILE CG2 C 17.309 0.45 1 907 84 84 ILE CD1 C 13.023 0.45 1 908 84 84 ILE N N 119.017 0.3 1 909 85 85 GLY H H 8.516 0.03 1 910 85 85 GLY HA2 H 3.892 0.03 2 911 85 85 GLY HA3 H 3.993 0.03 2 912 85 85 GLY C C 174.183 0.45 1 913 85 85 GLY CA C 45.208 0.45 1 914 85 85 GLY N N 112.91 0.3 1 915 86 86 GLN H H 8.266 0.03 1 916 86 86 GLN HA H 4.292 0.03 1 917 86 86 GLN HB2 H 2.102 0.03 2 918 86 86 GLN HB3 H 1.954 0.03 2 919 86 86 GLN HG2 H 2.315 0.03 2 920 86 86 GLN HG3 H 2.315 0.03 2 921 86 86 GLN HE21 H 7.582 0.03 2 922 86 86 GLN HE22 H 6.85 0.03 2 923 86 86 GLN C C 175.926 0.45 1 924 86 86 GLN CA C 55.926 0.45 1 925 86 86 GLN CB C 29.493 0.45 1 926 86 86 GLN CG C 33.629 0.45 1 927 86 86 GLN CD C 180.46 0.45 1 928 86 86 GLN N N 119.656 0.3 1 929 86 86 GLN NE2 N 112.67 0.3 1 930 87 87 ASP H H 8.5 0.03 1 931 87 87 ASP HA H 4.569 0.03 1 932 87 87 ASP HB2 H 2.696 0.03 2 933 87 87 ASP HB3 H 2.611 0.03 2 934 87 87 ASP C C 176.54 0.45 1 935 87 87 ASP CA C 54.664 0.45 1 936 87 87 ASP CB C 41.087 0.45 1 937 87 87 ASP N N 121.153 0.3 1 938 88 88 GLU H H 8.327 0.03 1 939 88 88 GLU HA H 4.243 0.03 1 940 88 88 GLU HB2 H 2.066 0.03 2 941 88 88 GLU HB3 H 1.937 0.03 2 942 88 88 GLU HG2 H 2.252 0.03 2 943 88 88 GLU HG3 H 2.252 0.03 2 944 88 88 GLU C C 176.567 0.45 1 945 88 88 GLU CA C 56.867 0.45 1 946 88 88 GLU CB C 30.217 0.45 1 947 88 88 GLU CG C 36.249 0.45 1 948 88 88 GLU N N 121.546 0.3 1 949 89 89 ALA H H 8.294 0.03 1 950 89 89 ALA HA H 4.232 0.03 1 951 89 89 ALA HB H 1.384 0.03 1 952 89 89 ALA C C 177.882 0.45 1 953 89 89 ALA CA C 52.988 0.45 1 954 89 89 ALA CB C 19.215 0.45 1 955 89 89 ALA N N 124.48 0.3 1 956 90 90 ASP H H 8.254 0.03 1 957 90 90 ASP HA H 4.534 0.03 1 958 90 90 ASP HB2 H 2.673 0.03 2 959 90 90 ASP HB3 H 2.631 0.03 2 960 90 90 ASP C C 176.177 0.45 1 961 90 90 ASP CA C 54.522 0.45 1 962 90 90 ASP CB C 41.128 0.45 1 963 90 90 ASP N N 119.162 0.3 1 964 91 91 ALA H H 8.004 0.03 1 965 91 91 ALA HA H 4.249 0.03 1 966 91 91 ALA HB H 1.294 0.03 1 967 91 91 ALA C C 177.572 0.45 1 968 91 91 ALA CA C 52.709 0.45 1 969 91 91 ALA CB C 19.203 0.45 1 970 91 91 ALA N N 123.742 0.3 1 971 92 92 TYR H H 8.094 0.03 1 972 92 92 TYR HA H 4.497 0.03 1 973 92 92 TYR HB2 H 3.045 0.03 2 974 92 92 TYR HB3 H 2.976 0.03 2 975 92 92 TYR HD1 H 7.127 0.03 3 976 92 92 TYR HD2 H 7.127 0.03 3 977 92 92 TYR HE1 H 6.816 0.03 3 978 92 92 TYR HE2 H 6.816 0.03 3 979 92 92 TYR C C 175.552 0.45 1 980 92 92 TYR CA C 58.074 0.45 1 981 92 92 TYR CB C 38.706 0.45 1 982 92 92 TYR CD1 C 133.284 0.45 3 983 92 92 TYR CE1 C 118.212 0.45 3 984 92 92 TYR N N 119.268 0.3 1 985 93 93 ASP H H 8.176 0.03 1 986 93 93 ASP HA H 4.585 0.03 1 987 93 93 ASP HB2 H 2.697 0.03 2 988 93 93 ASP HB3 H 2.595 0.03 2 989 93 93 ASP C C 176.292 0.45 1 990 93 93 ASP CA C 53.832 0.45 1 991 93 93 ASP CB C 41.175 0.45 1 992 93 93 ASP N N 122.393 0.3 1 993 94 94 CYS H H 8.247 0.03 1 994 94 94 CYS HA H 4.387 0.03 1 995 94 94 CYS HB2 H 2.988 0.03 2 996 94 94 CYS HB3 H 2.937 0.03 2 997 94 94 CYS C C 174.811 0.45 1 998 94 94 CYS CA C 58.983 0.45 1 999 94 94 CYS CB C 27.902 0.45 1 1000 94 94 CYS N N 120.029 0.3 1 1001 95 95 ASP H H 8.395 0.03 1 1002 95 95 ASP HA H 4.585 0.03 1 1003 95 95 ASP HB2 H 2.726 0.03 2 1004 95 95 ASP HB3 H 2.654 0.03 2 1005 95 95 ASP C C 176.688 0.45 1 1006 95 95 ASP CA C 54.991 0.45 1 1007 95 95 ASP CB C 41.126 0.45 1 1008 95 95 ASP N N 122.451 0.3 1 1009 96 96 ALA H H 8.06 0.03 1 1010 96 96 ALA HA H 4.142 0.03 1 1011 96 96 ALA HB H 1.402 0.03 1 1012 96 96 ALA C C 178.244 0.45 1 1013 96 96 ALA CA C 53.509 0.45 1 1014 96 96 ALA CB C 18.958 0.45 1 1015 96 96 ALA N N 124.253 0.3 1 1016 97 97 ALA H H 8.102 0.03 1 1017 97 97 ALA HA H 4.247 0.03 1 1018 97 97 ALA HB H 1.407 0.03 1 1019 97 97 ALA C C 178.078 0.45 1 1020 97 97 ALA CA C 52.861 0.45 1 1021 97 97 ALA CB C 18.947 0.45 1 1022 97 97 ALA N N 121.101 0.3 1 1023 98 98 LYS H H 7.932 0.03 1 1024 98 98 LYS HA H 4.285 0.03 1 1025 98 98 LYS HB2 H 1.881 0.03 2 1026 98 98 LYS HB3 H 1.79 0.03 2 1027 98 98 LYS HG2 H 1.402 0.03 2 1028 98 98 LYS HG3 H 1.459 0.03 2 1029 98 98 LYS HD2 H 1.675 0.03 2 1030 98 98 LYS HD3 H 1.675 0.03 2 1031 98 98 LYS HE2 H 2.986 0.03 2 1032 98 98 LYS HE3 H 2.986 0.03 2 1033 98 98 LYS C C 176.635 0.45 1 1034 98 98 LYS CA C 56.403 0.45 1 1035 98 98 LYS CB C 32.853 0.45 1 1036 98 98 LYS CG C 24.548 0.45 1 1037 98 98 LYS CD C 29.087 0.45 1 1038 98 98 LYS CE C 42.202 0.45 1 1039 98 98 LYS N N 119.265 0.3 1 1040 99 99 ARG H H 8.137 0.03 1 1041 99 99 ARG HA H 4.365 0.03 1 1042 99 99 ARG HB2 H 1.899 0.03 2 1043 99 99 ARG HB3 H 1.787 0.03 2 1044 99 99 ARG HG2 H 1.647 0.03 2 1045 99 99 ARG HG3 H 1.647 0.03 2 1046 99 99 ARG HD2 H 3.174 0.03 2 1047 99 99 ARG HD3 H 3.174 0.03 2 1048 99 99 ARG C C 175.84 0.45 1 1049 99 99 ARG CA C 56.175 0.45 1 1050 99 99 ARG CB C 31.023 0.45 1 1051 99 99 ARG CG C 26.715 0.45 1 1052 99 99 ARG CD C 43.374 0.45 1 1053 99 99 ARG N N 122.052 0.3 1 1054 100 100 GLY H H 7.967 0.03 1 1055 100 100 GLY HA2 H 3.758 0.03 2 1056 100 100 GLY HA3 H 3.758 0.03 2 1057 100 100 GLY C C 178.978 0.45 1 1058 100 100 GLY CA C 46.228 0.45 1 1059 100 100 GLY N N 115.971 0.3 1 stop_ save_